4-tert-butyl-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide

C23H22N2O3S — CID 155521991

IUPAC4-tert-butyl-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3[nH]c(=O)c4ccccc4c3c2)cc1
InChIInChI=1S/C23H22N2O3S/c1-23(2,3)15-8-11-17(12-9-15)29(27,28)25-16-10-13-21-20(14-16)18-6-4-5-7-19(18)22(26)24-21/h4-14,25H,1-3H3,(H,24,26)
InChIKeyBAMNDSOYJXZRME-UHFFFAOYSA-N
MW406.51 g/mol
LogP4.78
Rot. Bonds3

About 4-tert-butyl-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide

4-tert-butyl-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide (PubChem CID 155521991) has the molecular formula C23H22N2O3S and a molecular weight of 406.51 g/mol. Its IUPAC name is 4-tert-butyl-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide
PubChem CID155521991
Molecular FormulaC23H22N2O3S
Molecular Weight406.51 g/mol
Exact Mass406.14
IUPAC Name4-tert-butyl-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3[nH]c(=O)c4ccccc4c3c2)cc1
InChIInChI=1S/C23H22N2O3S/c1-23(2,3)15-8-11-17(12-9-15)29(27,28)25-16-10-13-21-20(14-16)18-6-4-5-7-19(18)22(26)24-21/h4-14,25H,1-3H3,(H,24,26)
InChIKeyBAMNDSOYJXZRME-UHFFFAOYSA-N
XLogP4.78
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 4547230
N-{2-[4-(dimethylsulfamoyl)phenyl]propan-2-yl}-2-fluoro-9-oxo-9,10-dihydroacridine-3-carboxamide
CID 16748527
N,N-diethyl-6-oxo-5,6-dihydrophenanthridine-2-sulfonamide
CID 6324455
4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide
CID 2531485
3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-(2-phenylphenyl)benzamide
CID 2223246
N-(4-butylphenyl)-3-[[4-(2,3-dimethylphenyl)-1-piperazinyl]carbonyl]-4-methylBenzenesulfonamide
CID 5201899
6-(dimethylamino)-N-(3,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-7-sulfonamide
CID 44634848
4-chloro-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide
CID 155535800
4-fluoro-N-(4-{[(4-methylphenyl)sulfonyl]amino}phenyl)benzamide
CID 1219578
N-[4-(3,4-dihydro-2(1H)-isoquinolinylcarbonyl)phenyl]-N,4-dimethylbenzenesulfonamide
CID 1306134
N-(3,4-dimethylphenyl)-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-5-sulfonamide
CID 2139897
4-{[(5-tert-butyl-2,3-dimethylphenyl)sulfonyl]amino}-N-(2-methylphenyl)benzamide
CID 2197002

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide (CID 155521991) is 4-tert-butyl-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3[nH]c(=O)c4ccccc4c3c2)cc1.
What is the InChIKey of 4-tert-butyl-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide?
The InChIKey is BAMNDSOYJXZRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3S/c1-23(2,3)15-8-11-17(12-9-15)29(27,28)25-16-10-13-21-20(14-16)18-6-4-5-7-19(18)22(26)24-21/h4-14,25H,1-3H3,(H,24,26).
What are the key properties of 4-tert-butyl-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide?
4-tert-butyl-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide has a molecular weight of 406.51 g/mol, XLogP of 4.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide is sourced from PubChem (CID 155521991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).